4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

C9H10N2S — CID 76850460

IUPAC4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1nccc2scnc12
InChIInChI=1S/C9H10N2S/c1-6(2)8-9-7(3-4-10-8)12-5-11-9/h3-6H,1-2H3
InChIKeyHSDIQXRBOJMBJB-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.81
Rot. Bonds1

About 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 76850460) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
PubChem CID76850460
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1nccc2scnc12
InChIInChI=1S/C9H10N2S/c1-6(2)8-9-7(3-4-10-8)12-5-11-9/h3-6H,1-2H3
InChIKeyHSDIQXRBOJMBJB-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (CID 76850460) is 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is CC(C)c1nccc2scnc12.
What is the InChIKey of 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is HSDIQXRBOJMBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6(2)8-9-7(3-4-10-8)12-5-11-9/h3-6H,1-2H3.
What are the key properties of 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 178.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 76850460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).